Geometry & MOs

Info

ID:	288861
PubChem CID:	104327222
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	286.148141
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	2.12
IP(EA), eV:	-8.81(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-aminophenyl)methyl]-N-ethyl-4-fluoro-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN)NC(=O)C2=C(C=C(C=C2)F)C

DOS

IR

Vibrations